2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide

C12H19N5O3 — CID 60849618

IUPAC2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H19N5O3/c13-10(4-11(14)18)12(19)16-8-5-15-17(6-8)7-9-2-1-3-20-9/h5-6,9-10H,1-4,7,13H2,(H2,14,18)(H,16,19)
InChIKeyBCZNIZAYHWYZCF-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.80
Rot. Bonds6

About 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide

2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide (PubChem CID 60849618) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
PubChem CID60849618
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H19N5O3/c13-10(4-11(14)18)12(19)16-8-5-15-17(6-8)7-9-2-1-3-20-9/h5-6,9-10H,1-4,7,13H2,(H2,14,18)(H,16,19)
InChIKeyBCZNIZAYHWYZCF-UHFFFAOYSA-N
XLogP-0.80
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
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-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide?
The IUPAC name of 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide (CID 60849618) is 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide.
What is the SMILES notation for 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide?
The canonical SMILES for 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide is NC(=O)CC(N)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide?
The InChIKey is BCZNIZAYHWYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-10(4-11(14)18)12(19)16-8-5-15-17(6-8)7-9-2-1-3-20-9/h5-6,9-10H,1-4,7,13H2,(H2,14,18)(H,16,19).
What are the key properties of 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide?
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide has a molecular weight of 281.32 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide is sourced from PubChem (CID 60849618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).