2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone

C19H34N6O — CID 72918107

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone
SMILESCc1n[nH]c(C)c1C(N)C(=O)N1CCCN(CCCN2CCCC2)CC1
InChIInChI=1S/C19H34N6O/c1-15-17(16(2)22-21-15)18(20)19(26)25-12-6-11-24(13-14-25)10-5-9-23-7-3-4-8-23/h18H,3-14,20H2,1-2H3,(H,21,22)
InChIKeyWQBVKNUCGOLAEB-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 72918107) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone
PubChem CID72918107
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone
SMILESCc1n[nH]c(C)c1C(N)C(=O)N1CCCN(CCCN2CCCC2)CC1
InChIInChI=1S/C19H34N6O/c1-15-17(16(2)22-21-15)18(20)19(26)25-12-6-11-24(13-14-25)10-5-9-23-7-3-4-8-23/h18H,3-14,20H2,1-2H3,(H,21,22)
InChIKeyWQBVKNUCGOLAEB-UHFFFAOYSA-N
XLogP1.05
TPSA81.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
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CID 56754333
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CID 70747717
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
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(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
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(1S*,5R*)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 74244284
2-(3,5-Dimethyl-1H-pyrazol-4-YL)-N-[(5-ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-isopropylacetamide
CID 74245237
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(5-methyl-1,3,4-thiadiazol-2-YL)ethyl]acetamide
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2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone (CID 72918107) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone is Cc1n[nH]c(C)c1C(N)C(=O)N1CCCN(CCCN2CCCC2)CC1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is WQBVKNUCGOLAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15-17(16(2)22-21-15)18(20)19(26)25-12-6-11-24(13-14-25)10-5-9-23-7-3-4-8-23/h18H,3-14,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 362.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 72918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).