2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

C14H24N4O2 — CID 76887991

IUPAC2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)12(15)13(19)17-10-7-16-18(8-10)9-11-5-4-6-20-11/h7-8,11-12H,4-6,9,15H2,1-3H3,(H,17,19)
InChIKeyPGWIZFBWEOTSKS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 76887991) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID76887991
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)12(15)13(19)17-10-7-16-18(8-10)9-11-5-4-6-20-11/h7-8,11-12H,4-6,9,15H2,1-3H3,(H,17,19)
InChIKeyPGWIZFBWEOTSKS-UHFFFAOYSA-N
XLogP1.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
tert-butyl N-[(2S)-1-[[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]carbamate
CID 129356138
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 103154783
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539659

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (CID 76887991) is 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is CC(C)(C)C(N)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is PGWIZFBWEOTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)12(15)13(19)17-10-7-16-18(8-10)9-11-5-4-6-20-11/h7-8,11-12H,4-6,9,15H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 76887991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).