N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

C16H16N4O — CID 155954366

IUPACN-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O/c21-16(18-8-10-5-6-10)15-7-14(19-20-15)12-9-17-13-4-2-1-3-11(12)13/h1-4,7,9-10,17H,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyIXCMDAVKOFJIMK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.70
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 155954366) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID155954366
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O/c21-16(18-8-10-5-6-10)15-7-14(19-20-15)12-9-17-13-4-2-1-3-11(12)13/h1-4,7,9-10,17H,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyIXCMDAVKOFJIMK-UHFFFAOYSA-N
XLogP2.70
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 136585265
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 166327720
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
3-(2-chlorophenyl)-N-[(4,4-difluorocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 138992310
N-[(1,1-dioxothian-4-yl)methyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 118763156
3-(1H-indol-3-yl)-N-(1,4,4-trimethylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 154870074
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
N-[(3-hydroxycyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103280554
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 166271743
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (CID 155954366) is N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is O=C(NCC1CC1)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is IXCMDAVKOFJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(18-8-10-5-6-10)15-7-14(19-20-15)12-9-17-13-4-2-1-3-11(12)13/h1-4,7,9-10,17H,5-6,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155954366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).