3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

C11H19N5O2 — CID 64524302

IUPAC3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-3-7(2)14-10(17)4-5-13-11(18)8-6-9(12)16-15-8/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,17)(H3,12,15,16)
InChIKeyZWNVVHQMDJMUNJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.03
Rot. Bonds6

About 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524302) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
PubChem CID64524302
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-3-7(2)14-10(17)4-5-13-11(18)8-6-9(12)16-15-8/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,17)(H3,12,15,16)
InChIKeyZWNVVHQMDJMUNJ-UHFFFAOYSA-N
XLogP0.03
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (CID 64524302) is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZWNVVHQMDJMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-7(2)14-10(17)4-5-13-11(18)8-6-9(12)16-15-8/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,17)(H3,12,15,16).
What are the key properties of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).