N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide

C17H24N6O2 — CID 167901933

IUPACN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESC#CCCC1(CCNC(=O)c2nn(C)cc2CN2CCC(O)C2)N=N1
InChIInChI=1S/C17H24N6O2/c1-3-4-6-17(20-21-17)7-8-18-16(25)15-13(10-22(2)19-15)11-23-9-5-14(24)12-23/h1,10,14,24H,4-9,11-12H2,2H3,(H,18,25)
InChIKeySDBYEPLATNGQNY-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.68
Rot. Bonds8

About N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 167901933) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID167901933
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide
SMILESC#CCCC1(CCNC(=O)c2nn(C)cc2CN2CCC(O)C2)N=N1
InChIInChI=1S/C17H24N6O2/c1-3-4-6-17(20-21-17)7-8-18-16(25)15-13(10-22(2)19-15)11-23-9-5-14(24)12-23/h1,10,14,24H,4-9,11-12H2,2H3,(H,18,25)
InChIKeySDBYEPLATNGQNY-UHFFFAOYSA-N
XLogP0.68
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[3-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]pyrrolidin-1-yl]methyl]-1-methylpyrazole-3-carboxamide
CID 166423291
4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide
CID 167826911
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 166409944
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-(1,3-dimethylpyrazol-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 166410065
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1-methylpiperidin-4-yl)oxyacetamide
CID 146152620
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxamide
CID 166409923
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 166416708
1-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 167828326
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(pyrrolidine-1-carbonyl)benzamide
CID 166409963
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 166430013
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,5-dimethyl-1-(oxan-2-yl)pyrazole-4-carboxamide
CID 166410056

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide (CID 167901933) is N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide is C#CCCC1(CCNC(=O)c2nn(C)cc2CN2CCC(O)C2)N=N1.
What is the InChIKey of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SDBYEPLATNGQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-4-6-17(20-21-17)7-8-18-16(25)15-13(10-22(2)19-15)11-23-9-5-14(24)12-23/h1,10,14,24H,4-9,11-12H2,2H3,(H,18,25).
What are the key properties of N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide?
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).