(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C14H22ClN5O2 — CID 56708481

IUPAC(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C14H22ClN5O2/c1-9(2)18-14(22)12-5-11(16)8-20(12)13(21)3-4-19-7-10(15)6-17-19/h6-7,9,11-12H,3-5,8,16H2,1-2H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyFLKAASALYSGUMX-RYUDHWBXSA-N
MW327.82 g/mol
LogP0.38
Rot. Bonds5

About (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56708481) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56708481
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C14H22ClN5O2/c1-9(2)18-14(22)12-5-11(16)8-20(12)13(21)3-4-19-7-10(15)6-17-19/h6-7,9,11-12H,3-5,8,16H2,1-2H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyFLKAASALYSGUMX-RYUDHWBXSA-N
XLogP0.38
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-(5-chloro-4-methylpyrazol-1-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
CID 172445636
1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]azepan-3-amine
CID 70719252
(2S)-1-acetyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 53513952
tert-butyl (2S)-2-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 53616829
N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
propyl ({(2S,4S)-1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)carbamate
CID 70780996
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
(3R*,4S*)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-4-cyclopropyl-3-pyrrolidinamine
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56708481) is (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCn1cc(Cl)cn1.
What is the InChIKey of (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FLKAASALYSGUMX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22ClN5O2/c1-9(2)18-14(22)12-5-11(16)8-20(12)13(21)3-4-19-7-10(15)6-17-19/h6-7,9,11-12H,3-5,8,16H2,1-2H3,(H,18,22)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56708481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).