N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide

C19H30N6O — CID 70721099

IUPACN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1
InChIInChI=1S/C19H30N6O/c1-15(2)13-24-7-4-8-25-18(14-24)9-17(23-25)12-20-19(26)6-3-5-16-10-21-22-11-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyAPCYNCWWPSEXNI-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.11
Rot. Bonds8

About N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide

N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 70721099) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID70721099
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)CN1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1
InChIInChI=1S/C19H30N6O/c1-15(2)13-24-7-4-8-25-18(14-24)9-17(23-25)12-20-19(26)6-3-5-16-10-21-22-11-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyAPCYNCWWPSEXNI-UHFFFAOYSA-N
XLogP2.11
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide with MolForge

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Related Compounds

US10022354, Example 58
CID 132070185
US10022354, Example 165
CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 112
CID 132070192
N-({5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70760448
US10022354, Example 162
CID 132070202
N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
CID 56900857
N-({5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70744034
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70785445
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)butanamide
CID 72894076
3-{5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}-N-(2-hydroxyethyl)propanamide
CID 72908033
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (CID 70721099) is N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide is CC(C)CN1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1.
What is the InChIKey of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is APCYNCWWPSEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-15(2)13-24-7-4-8-25-18(14-24)9-17(23-25)12-20-19(26)6-3-5-16-10-21-22-11-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,20,26)(H,21,22).
What are the key properties of N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 358.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 70721099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).