N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide

C10H17FN4O — CID 167985773

IUPACN-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](N)CCNC(=O)c1cc(F)[nH]n1
InChIInChI=1S/C10H17FN4O/c1-6(2)7(12)3-4-13-10(16)8-5-9(11)15-14-8/h5-7H,3-4,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyCYBWGZBUGYXDTI-SSDOTTSWSA-N
MW228.27 g/mol
LogP0.65
Rot. Bonds5

About N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide

N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide (PubChem CID 167985773) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide
PubChem CID167985773
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC NameN-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](N)CCNC(=O)c1cc(F)[nH]n1
InChIInChI=1S/C10H17FN4O/c1-6(2)7(12)3-4-13-10(16)8-5-9(11)15-14-8/h5-7H,3-4,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyCYBWGZBUGYXDTI-SSDOTTSWSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 123
CID 121279532
US10022354, Example 27
CID 121279544
US10022354, Example 231
CID 121279598
US10022354, Example 230
CID 121279605
US10022354, Example 222
CID 121279620
US10022354, Example 194
CID 121279630
US10022354, Example 221
CID 121279641
US10022354, Example 229
CID 121279652
US10022354, Example 232
CID 121279735
US10022354, Example 218
CID 132070227
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
US10022354, Example 124
CID 121279533

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide (CID 167985773) is N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide is CC(C)[C@H](N)CCNC(=O)c1cc(F)[nH]n1.
What is the InChIKey of N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide?
The InChIKey is CYBWGZBUGYXDTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-6(2)7(12)3-4-13-10(16)8-5-9(11)15-14-8/h5-7H,3-4,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1.
What are the key properties of N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide?
N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide has a molecular weight of 228.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-4-methylpentyl]-5-fluoro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167985773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).