N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

C13H21N5 — CID 82871571

IUPACN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2ccn(C)n2)cc1CNC(C)C
InChIInChI=1S/C13H21N5/c1-10(2)14-7-12-8-18(15-11(12)3)9-13-5-6-17(4)16-13/h5-6,8,10,14H,7,9H2,1-4H3
InChIKeyPFZQNJLLGPINAY-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.47
Rot. Bonds5

About N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 82871571) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID82871571
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2ccn(C)n2)cc1CNC(C)C
InChIInChI=1S/C13H21N5/c1-10(2)14-7-12-8-18(15-11(12)3)9-13-5-6-17(4)16-13/h5-6,8,10,14H,7,9H2,1-4H3
InChIKeyPFZQNJLLGPINAY-UHFFFAOYSA-N
XLogP1.47
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82871442
N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 112644560
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106458322
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571854
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 82866303
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
CID 156571070

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 82871571) is N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(Cc2ccn(C)n2)cc1CNC(C)C.
What is the InChIKey of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is PFZQNJLLGPINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)14-7-12-8-18(15-11(12)3)9-13-5-6-17(4)16-13/h5-6,8,10,14H,7,9H2,1-4H3.
What are the key properties of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 82871571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).