1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide

C16H22N6O — CID 126901141

IUPAC1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESCn1nc2c(c1CN1CC(n3cc(C(N)=O)cn3)C1)CCCC2
InChIInChI=1S/C16H22N6O/c1-20-15(13-4-2-3-5-14(13)19-20)10-21-8-12(9-21)22-7-11(6-18-22)16(17)23/h6-7,12H,2-5,8-10H2,1H3,(H2,17,23)
InChIKeyAINYNIUVCWPTQH-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.65
Rot. Bonds4

About 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide

1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901141) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901141
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
SMILESCn1nc2c(c1CN1CC(n3cc(C(N)=O)cn3)C1)CCCC2
InChIInChI=1S/C16H22N6O/c1-20-15(13-4-2-3-5-14(13)19-20)10-21-8-12(9-21)22-7-11(6-18-22)16(17)23/h6-7,12H,2-5,8-10H2,1H3,(H2,17,23)
InChIKeyAINYNIUVCWPTQH-UHFFFAOYSA-N
XLogP0.65
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018
cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]methanone
CID 154828822
1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901107
2-methyl-3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 126946702
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948054
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948031
1-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901064
1-[1-[2-(3-oxomorpholin-4-yl)ethyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901068
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide (CID 126901141) is 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide is Cn1nc2c(c1CN1CC(n3cc(C(N)=O)cn3)C1)CCCC2.
What is the InChIKey of 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is AINYNIUVCWPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-20-15(13-4-2-3-5-14(13)19-20)10-21-8-12(9-21)22-7-11(6-18-22)16(17)23/h6-7,12H,2-5,8-10H2,1H3,(H2,17,23).
What are the key properties of 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).