(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine

C10H18N4 — CID 39221504

IUPAC(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1[nH]ncc1CN1CCC[C@H](N)C1
InChIInChI=1S/C10H18N4/c1-8-9(5-12-13-8)6-14-4-2-3-10(11)7-14/h5,10H,2-4,6-7,11H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyRTNFKJUNTYVCBC-JTQLQIEISA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds2

About (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine

(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 39221504) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID39221504
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
SMILESCc1[nH]ncc1CN1CCC[C@H](N)C1
InChIInChI=1S/C10H18N4/c1-8-9(5-12-13-8)6-14-4-2-3-10(11)7-14/h5,10H,2-4,6-7,11H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyRTNFKJUNTYVCBC-JTQLQIEISA-N
XLogP0.64
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
CID 95935060
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 130644711
4-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine
CID 131089524
1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-amine
CID 130825662
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
2-imidazol-1-yl-6-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 110091021
2-imidazol-1-yl-6-[(3R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 125010570
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124963578
1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154906188
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine (CID 39221504) is (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine is Cc1[nH]ncc1CN1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is RTNFKJUNTYVCBC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N4/c1-8-9(5-12-13-8)6-14-4-2-3-10(11)7-14/h5,10H,2-4,6-7,11H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine?
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 39221504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).