N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide

C14H18N4O — CID 124698938

IUPACN-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@@H](CN)C3CC3)c2c1
InChIInChI=1S/C14H18N4O/c1-8-2-5-11-10(6-8)13(18-17-11)14(19)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyIISMKZTUOGRASZ-LBPRGKRZSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds4

About N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide

N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 124698938) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID124698938
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@@H](CN)C3CC3)c2c1
InChIInChI=1S/C14H18N4O/c1-8-2-5-11-10(6-8)13(18-17-11)14(19)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyIISMKZTUOGRASZ-LBPRGKRZSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
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5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
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CID 113338562

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide (CID 124698938) is N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N[C@@H](CN)C3CC3)c2c1.
What is the InChIKey of N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is IISMKZTUOGRASZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-2-5-11-10(6-8)13(18-17-11)14(19)16-12(7-15)9-3-4-9/h2,5-6,9,12H,3-4,7,15H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 124698938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).