N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

C14H19N5O — CID 126781070

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESCn1cc(CNC(=O)Cc2n[nH]c3c2CCCC3)cn1
InChIInChI=1S/C14H19N5O/c1-19-9-10(8-16-19)7-15-14(20)6-13-11-4-2-3-5-12(11)17-18-13/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18)
InChIKeySKCONEHFASDJEK-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.88
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (PubChem CID 126781070) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
PubChem CID126781070
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESCn1cc(CNC(=O)Cc2n[nH]c3c2CCCC3)cn1
InChIInChI=1S/C14H19N5O/c1-19-9-10(8-16-19)7-15-14(20)6-13-11-4-2-3-5-12(11)17-18-13/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18)
InChIKeySKCONEHFASDJEK-UHFFFAOYSA-N
XLogP0.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide with MolForge

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Related Compounds

2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 77088501
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 107909826
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50981979
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (CID 126781070) is N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is Cn1cc(CNC(=O)Cc2n[nH]c3c2CCCC3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The InChIKey is SKCONEHFASDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-9-10(8-16-19)7-15-14(20)6-13-11-4-2-3-5-12(11)17-18-13/h8-9H,2-7H2,1H3,(H,15,20)(H,17,18).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 126781070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).